Vitamin D and lumisterol novel metabolites can inhibit SARS-CoV-2 replication machinery enzymes.

ABSTRACT: Vitamin D deficiency significantly correlates with the severity of SARS-CoV-2 infection. Molecular docking-based virtual screening studies predict that novel vitamin D and related lumisterol hydroxymetabolites are able to bind to the active sites of two SARS-CoV-2 transcription machinery enzymes with high affinity. These enzymes are the main protease (M^pro) and RNA-dependent RNA polymerase (RdRP), which play important roles in viral replication and establishing infection. Based on predicted binding affinities and specific interactions, we identified 10 vitamin D3 (D3) and lumisterol (L3) analogs as likely binding partners of SARS-CoV-2 M^pro and RdRP and, therefore, tested their ability to inhibit these enzymes. Activity measurements demonstrated that 25(OH)L3, 24(OH)L

SUBMITTER: Qayyum S 

PROVIDER: S-EPMC8328521 | biostudies-literature | 2021 Aug

REPOSITORIES: biostudies-literature